3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol

C16H25NO — CID 113418919

IUPAC3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
SMILESCCC1CCN(CCC(O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H25NO/c1-3-14-8-10-17(12-14)11-9-16(18)15-6-4-13(2)5-7-15/h4-7,14,16,18H,3,8-12H2,1-2H3
InChIKeyJGFGILPGKCKPKN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.15
Rot. Bonds5

About 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol

3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol (PubChem CID 113418919) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
PubChem CID113418919
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
SMILESCCC1CCN(CCC(O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H25NO/c1-3-14-8-10-17(12-14)11-9-16(18)15-6-4-13(2)5-7-15/h4-7,14,16,18H,3,8-12H2,1-2H3
InChIKeyJGFGILPGKCKPKN-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 112698266
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 63620086
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488276
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103502832

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol (CID 113418919) is 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol is CCC1CCN(CCC(O)c2ccc(C)cc2)C1.
What is the InChIKey of 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is JGFGILPGKCKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-14-8-10-17(12-14)11-9-16(18)15-6-4-13(2)5-7-15/h4-7,14,16,18H,3,8-12H2,1-2H3.
What are the key properties of 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol?
3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 113418919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).